Information card for entry 7119793

Structure parameters

• Formula: C18 H32 O12
• Calculated formula: C18 H32 O12
• SMILES: C1(O)[C@H]2[C@H](C([C@@H]3[C@@H]1O[C@@](C)([C@](C)(O3)OC)OC)O)O[C@](C)([C@@](C)(O2)OC)OC.O.O
• Title of publication: Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.
• Authors of publication: Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3971
• a: 25.8732 ± 0.0015 Å
• b: 7.1173 ± 0.0004 Å
• c: 12.9798 ± 0.0007 Å
• α: 90°
• β: 116.77 ± 0.002°
• γ: 90°
• Cell volume: 2134 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No